Density anomaly in water-alcohol mixtures: Minimum model for structure makers and breakers
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Updated: Aug 2, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Marco A Habitzreuter1, Marcia C Barbosa1
1Instituto de Física - Universidade Federal do Rio Grande do Sul Porto Alegre, Rio Grande do Sul 91501-970, Brazil.
Abstract:
We modeled the change in the temperature of maximum density (TMD) of a waterlike solvent when small amounts of solute are added to the mixture. The solvent is modeled as a two length scales potential, which is known to exhibit waterlike characteristic anomalies, while the solute is chosen to have an attractive interaction with the solvent which is tuned from small to large attractive potential. We show that if the solute exhibits high attraction with the solvent it behaves as a structure maker and the TMD increases with the addition of solute, while if the solute shows a low attraction with the solvent the TMD decreases, with the solute behaving as a structure breaker.
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